Variational cellular method for polyatomic molecules: SiH4
- 1 November 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 79 (9) , 4392-4396
- https://doi.org/10.1063/1.446323
Abstract
We review the variational cellular method for polyatomic systems and discuss some of its most interesting features. This method may be as fast as the multiple scattering method but is free from the defects of the muffin‐tin potential and charge density. Thus it is a method very attractive for large systems such as solids and large molecules, and capable of giving calculated results with a degree of precision at least as good as those of Hartree–Fock calculations. The method is applied to SiH4, where we explore its capabilities with excellent results.Keywords
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